5-butyl-3-methyl-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-butyl-3-methyl-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-methyl-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-methyl-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-methyl-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-4,6-diketo-3-methyl-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H19Cl3N2O4 MolecularWeight: 433.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC(=C3Cl)Cl)Cl)(C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC(=C3Cl)Cl)Cl)(C)C(=O)O

InChI

InChI=1S/C18H19Cl3N2O4/c1-3-4-5-23-15(24)11-12(16(23)25)18(2,17(26)27)22-14(11)9-6-8(19)7-10(20)13(9)21/h6-7,11-12,14,22H,3-5H2,1-2H3,(H,26,27)